AG003SA8

2524-78-9 | 3-Acetamidothioanisole

AG003SA8

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CAS Number	2524-78-9
Catalog Number	AG003SA8(AGN-PC-0JPC9C)
Chemical Name	3-Acetamidothioanisole
IUPAC Name	N-(3-methylsulfanylphenyl)acetamide
InChI	InChI=1S/C9H11NOS/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)
InChI Key	DFRHNWNBWOIBRW-UHFFFAOYSA-N
MDL Number	MFCD00026135
Molecular Formula	C9H11NOS
Molecular Weight	181.2547
NSC Number	157358
SMILES	S(C1(=CC(NC(=O)C)=CC=C1))C
Synonyms	3-Acetamidothioanisole, 2524-78-9, N-(3-(methylthio)phenyl)acetamide, 3-Acetamido thioanisole, 3'-(Methylthio)acetanilide, N-[3-(Methylsulfanyl)phenyl]acetamide, Acetamide, N-[3-(methylthio)phenyl]-, N-Acetyl-m-(methylthio)aniline, N-[3-(methylthio)phenyl]acetamide, N-(3-methylsulfanylphenyl)acetamide, 3-acetamidothioaniso, NSC157358, PubChem10658, ACMC-1CIQX, AC1L6GOD, AC1Q5MBJ, AC1Q4H2J, WLN: 1VMR CS1, n-acetyl-3-methylthio-anilin, MLS000701567, SCHEMBL5208634, Acetanilide, 3'-(methylthio)-, CHEMBL1332250, CTK7B5122, 3''-(methylmercapto)-acetanilide, DFRHNWNBWOIBRW-UHFFFAOYSA-N, HMS2515C19, HMS3377I16, ZINC362997, EBD21868, KS-000017GP, acetamide,n-[3-(methylthio)phenyl], N-(3-methylsulfanylphenyl)ethanamide, n-[3-(methylthio)phenyl]-acetamide, ANW-25671, MFCD00026135, AKOS004072923, AS04297, MCULE-6542128302, NSC-157358, RP24258, AC-16442, AJ-20172, AS-13442, I270, N-[3-(Methylsulfanyl)phenyl]acetamide #, SMR000229022, AB0013586, TL8006814, TR-033433, FT-0614850, M1671, ST24048330, C-4934, A817741, AN-652/40173320, J-511495, N-Acetyl-m-methylthioaniline, C9H11NOS, Aniline, N-acetyl-3-(methylthio)-, C9-H11-N-O-S, AR-1K5776, CID291818, NSC 157358, BRN 2087488, ANILINE, N-ACETYL-3-METHYLTHIO-, 3-Acetamidothioanisole, 97% - 25G 25g, 4-13-00-01010 (Beilstein Handbook Reference), 36207-25-7,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.056g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.253g/mol
Monoisotopic Mass	181.056g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number